SCHEMBL12649743

SCHEMBL12649743

CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1ncc3ccccc3c1C#N)c(=O)n2C

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.65
▸ CHRM1 P11229 3/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20895847 0.94 DPP4 (0.62) DPP4CHRM1
SCHEMBL20895848 0.94 DPP4 (0.62) DPP4CHRM1
SCHEMBL1772989 0.92 DPP4 (0.77) DPP4CHRM1
SCHEMBL1772988 0.92 DPP4 (0.77) DPP4CHRM1
SCHEMBL13946035 0.88 DPP4 (0.51) DPP4CHRM1
SCHEMBL8269947 0.87 DPP4 (0.52) DPP4CHRM1
SCHEMBL10067751 0.84 DPP4 (0.64) DPP4CHRM1
SCHEMBL2609251 0.84 DPP4 (0.68) DPP4CHRM1
SCHEMBL12290555 0.84 DPP4 (0.68) DPP4CHRM1
SCHEMBL685384 0.83 DPP4 (0.84) DPP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 DPP4 3263/4885CHRM1 4301/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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